DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:25 UTC
Update Date	2025-03-25 00:51:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188583
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈N₂O₄
Molecular Mass	230.1267
SMILES	CC(NC(=O)C(=O)CC(N)C(C)C)C(=O)O
InChI Key	WTOXVFOYZFLPPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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